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Benchmarks
Property Optimization on Pharmacokinetic and toxicity properties (AMES, BBBP, CYP3A4, DILI, HIA, PGP)
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48.2
AMES Accuracy
HierVAE
44.248
45.274
46.3
47.326
May 18, 2025
AMES Accuracy
BBBP Accuracy
CYP3A4 Performance Score
DILI Accuracy
HIA Accuracy
PGP Accuracy
Average Improvement
Updated 3mo ago
Evaluation Results
Method
Method
Links
AMES Accuracy
BBBP Accuracy
CYP3A4 Performance Score
DILI Accuracy
HIA Accuracy
PGP Accuracy
Average Improvement
HierVAE
training_mode=fine-tun...
2025.05
48.2
66.4
1.2
53.1
99.7
64.3
10.5
mCLM
training_mode=instruct...
2025.05
44.4
85.2
1.4
53.7
98.99
64.4
15
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